CID 55296736

Methyl 5,5-difluoropiperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11F2NO2
SMILES
COC(=O)C1CC(CNC1)(F)F
InChI
InChI=1S/C7H11F2NO2/c1-12-6(11)5-2-7(8,9)4-10-3-5/h5,10H,2-4H2,1H3
InChIKey
VVHLPPLZWIWHPY-UHFFFAOYSA-N
Compound name
methyl 5,5-difluoropiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

179.07579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.083066 135.4
[M+Na]+ 202.065008 142.2
[M-H]- 178.068514 133.3
[M+NH4]+ 197.109613 155.3
[M+K]+ 218.038948 140.8
[M+H-H2O]+ 162.073050 128.6
[M+HCOO]- 224.073991 151.0
[M+CH3COO]- 238.089641 175.9
[M+Na-2H]- 200.050456 139.3
[M]+ 179.07524142 128.7
[M]- 179.07633858 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe